5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol

C17H35N3O7 — CID 166766937

IUPAC5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol
SMILESCC(C)CNC1CC(N)C(OC2OC(C(C)O)C(O)C(O)C2N)[C@H](O)C1O
InChIInChI=1S/C17H35N3O7/c1-6(2)5-20-9-4-8(18)16(13(24)11(9)22)27-17-10(19)12(23)14(25)15(26-17)7(3)21/h6-17,20-25H,4-5,18-19H2,1-3H3/t7?,8?,9?,10?,11?,12?,13-,14?,15?,16?,17?/m1/s1
InChIKeyDYAYWSGOYWQULR-RNNSJRETSA-N
MW393.48 g/mol
LogP-3.41
Rot. Bonds6

About 5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol

5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol (PubChem CID 166766937) has the molecular formula C17H35N3O7 and a molecular weight of 393.48 g/mol. Its IUPAC name is 5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol.

Molecular Properties

Compound Name5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol
PubChem CID166766937
Molecular FormulaC17H35N3O7
Molecular Weight393.48 g/mol
Exact Mass393.25
IUPAC Name5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol
SMILESCC(C)CNC1CC(N)C(OC2OC(C(C)O)C(O)C(O)C2N)[C@H](O)C1O
InChIInChI=1S/C17H35N3O7/c1-6(2)5-20-9-4-8(18)16(13(24)11(9)22)27-17-10(19)12(23)14(25)15(26-17)7(3)21/h6-17,20-25H,4-5,18-19H2,1-3H3/t7?,8?,9?,10?,11?,12?,13-,14?,15?,16?,17?/m1/s1
InChIKeyDYAYWSGOYWQULR-RNNSJRETSA-N
XLogP-3.41
TPSA183.68 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 5-3.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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Related Compounds

5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol
CID 135176461
CID 159845235
CID 159845235
(3S,5S,6S)-5-amino-6-[(1R,4R)-4,6-diamino-2-[(2S,5R)-5-[(1S)-1-aminoethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol
CID 159149334
5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-2-[(1S)-1,2-dihydroxyethyl]oxane-3,4-diol
CID 137417284
(3S,5S,6S)-5-amino-6-[(1R,2R,3R)-6-amino-2,3-dihydroxy-4-(propylamino)cyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 174000519
5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol
CID 70795905
(2S)-4-amino-N-[5-amino-4-[3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-3-[5-[(1R)-1-aminoethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
CID 129316149
(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 50990066
(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 2733531
(2R,3S,4R,5R,6S)-5-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol;sulfuric acid
CID 127044423
(2R,5R)-2-[(1S,4S)-4,6-diamino-3-[(2S,5S)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 44658668
(3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-4-butyl-3-hydroxycyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol;methane
CID 161077961

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol?
The IUPAC name of 5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol (CID 166766937) is 5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol.
What is the SMILES notation for 5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol?
The canonical SMILES for 5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol is CC(C)CNC1CC(N)C(OC2OC(C(C)O)C(O)C(O)C2N)[C@H](O)C1O.
What is the InChIKey of 5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol?
The InChIKey is DYAYWSGOYWQULR-RNNSJRETSA-N. The full InChI is InChI=1S/C17H35N3O7/c1-6(2)5-20-9-4-8(18)16(13(24)11(9)22)27-17-10(19)12(23)14(25)15(26-17)7(3)21/h6-17,20-25H,4-5,18-19H2,1-3H3/t7?,8?,9?,10?,11?,12?,13-,14?,15?,16?,17?/m1/s1.
What are the key properties of 5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol?
5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol has a molecular weight of 393.48 g/mol, XLogP of -3.41, 6 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol is sourced from PubChem (CID 166766937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).